Registration Dossier
Registration Dossier
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EC number: 214-122-9 | CAS number: 1087-21-4
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2015
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE WSKOW
2. MODEL (incl. version number) v1.41
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
O=C(OCC=C)c(cccc1C(=O)OCC=C)c1 - Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- - Software tool(s) used including version: WSKOW v1.41
- Model(s) used: US EPA EPISUITE
- Parameters analysed / observed:O=C(OCC=C)c(cccc1C(=O)OCC=C)c1 - Key result
- Water solubility:
- 33.8 mg/L
- Conc. based on:
- not specified
- Temp.:
- 25 °C
- Remarks on result:
- other: determined using QSAR
- Conclusions:
- This substance has a water solubility of 33.8 mg/l and is regarded as slightly soluble.
Reference
Description of key information
This substance has a water solubility of 33.8 mg/l and is regarded as slightly soluble. Calculated using Episuite and input of substance SMILES.
Key value for chemical safety assessment
- Water solubility:
- 33.8 mg/L
- at the temperature of:
- 25 °C
Additional information
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